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Keywords

Keyword descriptions

Decide whether to perform ADMM in the exact exchange calc. for RPA and/or GW. Not really recommended. In most cases, the Hartree-Fock exchange is not expensive and there is no need for ADMM. Only in case of diffuse functions for periodic systems (only reasonable for GW bandgap calculations) exact exchange can be expensive and then, we recommend using RI for exchange.
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Group size for frequency integration, that is the number of processes involved in the computation of each integration point. SIZE_FREQ_INTEG_GROUP has to be a multiple of GROUP_SIZE in the WF_CORRELATION section. The default (-1) is automatic.
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